#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvo n TYR 2 N 0.00 0.00 0.24 -0.67 0.18 -1.26 0.16 117.16 115.82 1nvo n TYR 2 Ca 0.00 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.62 1nvo n TYR 2 Cb 0.00 -0.48 -0.08 0.00 -0.38 0.00 0.00 39.34 38.41 1nvo n TYR 2 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 1nvo h LEU 3 N 0.00 -0.79 -2.18 -3.48 3.38 -2.00 -0.39 115.31 109.86 1nvo h LEU 3 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1nvo h LEU 3 Cb 0.00 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1nvo h LEU 3 CO 0.00 -0.46 0.00 0.03 0.09 0.00 0.00 178.44 178.10 1nvo h ARG 4 N -0.70 0.00 -0.46 1.13 3.08 -0.69 -1.43 114.38 115.30 1nvo h ARG 4 Ca -0.04 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 1nvo h ARG 4 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 1nvo h ARG 4 CO 0.00 0.00 -0.05 0.93 -1.07 0.00 0.00 179.97 179.79 1nvo h GLU 5 N 0.00 0.85 -1.18 0.04 4.39 0.19 0.15 114.58 119.02 1nvo h GLU 5 Ca 0.00 -0.29 -0.49 0.00 0.34 0.00 0.00 59.36 58.92 1nvo h GLU 5 Cb 0.22 -0.06 -0.22 0.00 -0.10 0.00 0.00 28.75 28.58 1nvo h GLU 5 CO 0.00 0.92 0.63 1.28 -1.16 0.00 0.00 179.01 180.68 1nvo n LEU 6 N -4.31 6.83 0.14 1.33 4.77 -0.57 -3.79 117.00 121.38 1nvo n LEU 6 Ca 0.00 -3.65 0.00 0.00 -0.03 0.00 0.00 56.01 52.33 1nvo n LEU 6 Cb 0.34 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 1nvo n LEU 6 CO 0.43 1.25 0.00 -0.11 -1.33 0.00 0.00 177.39 177.63 1nvo n LEU 7 N -0.44 -0.91 -0.05 2.23 -0.00 -0.93 -4.76 117.00 112.13 1nvo n LEU 7 Ca 0.47 0.48 -0.11 0.00 -0.00 0.00 0.00 56.01 56.85 1nvo n LEU 7 Cb 0.81 1.02 -0.04 0.00 -0.00 0.00 0.00 43.42 45.21 1nvo n LEU 7 CO 0.57 -0.53 0.85 0.50 -0.00 0.00 0.00 177.39 178.78 1nvo h LYS 8 N 0.00 0.29 -0.25 1.96 3.64 -0.91 0.15 116.57 121.45 1nvo h LYS 8 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1nvo h LYS 8 Cb 0.00 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1nvo h LYS 8 CO 0.00 0.36 0.16 -0.07 -2.27 0.00 0.00 179.45 177.63 1nvo h LEU 9 N 0.16 0.29 -0.88 5.20 3.38 -1.67 -2.79 115.31 119.00 1nvo h LEU 9 Ca 0.06 -0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.14 1nvo h LEU 9 Cb 0.18 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 40.77 1nvo h LEU 9 CO -0.01 0.23 0.49 -0.33 0.09 0.00 0.00 178.44 178.92 1nvo h GLU 10 N 0.32 0.71 -0.80 1.13 4.39 -1.49 -1.53 114.58 117.31 1nvo h GLU 10 Ca 0.09 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 1nvo h GLU 10 Cb -0.02 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.44 1nvo h GLU 10 CO -0.02 0.47 0.42 1.25 -1.16 0.00 0.00 179.01 179.97 1nvo h LEU 11 N 0.74 1.02 -1.09 1.33 5.85 -0.47 -1.76 115.31 120.92 1nvo h LEU 11 Ca 0.46 -0.11 0.16 0.00 0.84 0.00 0.00 57.88 59.23 1nvo h LEU 11 Cb 0.58 -0.26 -0.09 0.00 0.37 0.00 0.00 40.66 41.26 1nvo h LEU 11 CO -0.32 0.84 0.61 1.56 -0.34 0.00 0.00 178.44 180.80 1nvo h GLN 12 N 1.12 0.79 0.82 1.25 4.20 -1.17 -2.42 115.11 119.70 1nvo h GLN 12 Ca 0.28 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.90 1nvo h GLN 12 Cb 0.07 -0.18 0.01 0.00 0.30 0.00 0.00 27.48 27.68 1nvo h GLN 12 CO -0.04 0.52 -0.41 -0.07 -0.67 0.00 0.00 178.83 178.16 1nvo h LEU 13 N 0.81 -1.00 -1.26 1.46 3.38 -1.21 0.33 115.31 117.82 1nvo h LEU 13 Ca 0.52 0.04 0.19 0.00 0.09 0.00 0.00 57.88 58.72 1nvo h LEU 13 Cb 0.74 0.27 -0.08 0.00 0.09 0.00 0.00 40.66 41.68 1nvo h LEU 13 CO -0.30 -0.69 0.61 0.40 0.09 0.00 0.00 178.44 178.55 1nvo h ILE 14 N -1.13 0.71 0.28 1.22 5.03 -1.35 0.56 117.51 122.84 1nvo h ILE 14 Ca -0.11 -0.21 -0.01 0.00 -0.12 0.00 0.00 64.86 64.41 1nvo h ILE 14 Cb 0.87 0.05 0.00 0.00 -3.03 0.00 0.00 36.82 34.72 1nvo h ILE 14 CO 0.17 0.11 -0.13 0.50 -0.68 0.00 0.00 178.15 178.12 1nvo h LYS 15 N 0.61 -0.36 -0.04 2.37 1.63 -0.95 -2.71 116.57 117.11 1nvo h LYS 15 Ca 0.52 0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 60.29 1nvo h LYS 15 Cb 1.00 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.71 1nvo h LYS 15 CO -0.27 -0.16 -0.24 1.96 -3.45 0.00 0.00 179.45 177.29 1nvo h GLN 16 N -0.50 0.07 -0.70 1.90 4.20 0.36 -0.25 115.11 120.20 1nvo h GLN 16 Ca -0.04 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1nvo h GLN 16 Cb 0.37 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 1nvo h GLN 16 CO 0.06 0.31 0.37 1.88 -0.67 0.00 0.00 178.83 180.79 1nvo h TYR 17 N 0.06 0.97 -0.15 2.96 0.05 -0.11 0.19 116.97 120.94 1nvo h TYR 17 Ca 0.01 -0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 1nvo h TYR 17 Cb 0.47 -0.31 -0.00 0.00 1.01 0.00 0.00 36.73 37.90 1nvo h TYR 17 CO 0.00 0.69 -0.05 0.00 -1.05 0.00 0.00 178.16 177.76 1nvo h ARG 18 N 0.96 0.30 -0.67 4.88 3.08 -0.89 0.73 114.38 122.77 1nvo h ARG 18 Ca 0.24 -0.12 0.11 0.00 0.07 0.00 0.00 59.98 60.29 1nvo h ARG 18 Cb 0.05 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.01 1nvo h ARG 18 CO -0.04 0.59 0.26 1.49 -1.07 0.00 0.00 179.97 181.20 1nvo h GLU 19 N -0.01 0.42 0.00 0.04 4.81 -0.79 -1.88 114.58 117.17 1nvo h GLU 19 Ca 0.04 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 1nvo h GLU 19 Cb 0.49 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1nvo h GLU 19 CO 0.02 0.28 -0.50 0.00 -0.73 0.00 0.00 179.01 178.07 1nvo h ALA 20 N 1.47 0.69 -0.86 2.92 0.00 -0.43 -3.35 119.26 119.70 1nvo h ALA 20 Ca 0.35 -0.44 0.22 0.00 0.00 0.00 0.00 54.91 55.04 1nvo h ALA 20 Cb 0.48 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.06 1nvo h ALA 20 CO -0.35 0.60 0.23 1.25 0.00 0.00 0.00 179.25 180.99 1nvo h LEU 21 N 0.00 0.02 -0.72 0.00 6.46 0.02 0.24 115.31 121.33 1nvo h LEU 21 Ca -0.01 0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 57.93 1nvo h LEU 21 Cb 1.37 0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 41.52 1nvo h LEU 21 CO 0.06 -0.13 0.41 1.05 -0.62 0.00 0.00 178.44 179.22 1nvo h GLU 22 N 0.23 0.99 -0.58 1.25 4.11 -1.69 0.20 114.58 119.09 1nvo h GLU 22 Ca 0.53 -0.10 -0.08 0.00 0.07 0.00 0.00 59.36 59.77 1nvo h GLU 22 Cb 1.04 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1nvo h GLU 22 CO -0.63 0.72 0.03 1.88 0.07 0.00 0.00 179.01 181.09 1nvo h TYR 23 N 0.99 1.08 -0.06 2.06 0.05 -0.88 -3.22 116.97 116.98 1nvo h TYR 23 Ca 0.26 -0.17 -0.17 0.00 0.05 0.00 0.00 58.73 58.69 1nvo h TYR 23 Cb 0.00 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.45 1nvo h TYR 23 CO -0.01 0.96 -0.71 0.28 -1.05 0.00 0.00 178.16 177.63 1nvo h VAL 24 N 0.89 1.40 -6.05 -2.88 2.07 0.01 -3.48 116.25 108.21 1nvo h VAL 24 Ca 0.17 -2.17 -0.41 0.00 0.82 0.00 0.00 66.70 65.11 1nvo h VAL 24 Cb 0.50 2.13 0.06 0.00 -1.52 0.00 0.00 31.29 32.47 1nvo h VAL 24 CO 0.02 0.64 -0.82 0.29 0.02 0.00 0.00 177.57 177.73 1nvo n LYS 25 N -3.82 -5.11 -3.69 1.57 5.02 0.63 -5.01 118.16 107.75 1nvo n LYS 25 Ca -0.03 0.64 -0.14 0.00 -2.02 0.00 0.00 58.31 56.76 1nvo n LYS 25 Cb 0.69 -5.26 -0.14 0.00 -0.02 0.00 0.00 35.03 30.30 1nvo n LYS 25 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1nvo s LEU 26 N -6.67 0.03 0.59 -0.35 2.96 -1.26 -5.03 118.68 108.96 1nvo s LEU 26 Ca 0.03 0.46 0.37 0.00 -0.22 0.00 0.00 54.13 54.77 1nvo s LEU 26 Cb -0.01 0.53 1.75 0.00 0.50 0.00 0.00 46.19 48.96 1nvo s LEU 26 CO 0.80 -0.22 2.13 1.55 -1.32 0.00 0.00 176.35 179.29 1nvo h PRO 27 N 7.98 0.00 -0.61 0.98 0.13 -1.95 -2.19 132.00 136.35 1nvo h PRO 27 Ca -0.22 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.01 1nvo h PRO 27 Cb 1.13 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 1nvo h PRO 27 CO 0.22 0.01 0.41 0.28 -0.23 0.00 0.00 178.00 178.68 1nvo h VAL 28 N 0.00 0.89 -0.26 1.56 2.07 -1.99 -0.85 116.25 117.68 1nvo h VAL 28 Ca -0.00 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.39 1nvo h VAL 28 Cb 0.33 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1nvo h VAL 28 CO 0.00 0.08 0.13 -0.07 0.02 0.00 0.00 177.57 177.72 1nvo h LEU 29 N 0.42 0.19 -0.77 2.57 -0.00 -1.81 0.25 115.31 116.16 1nvo h LEU 29 Ca 0.28 0.01 0.17 0.00 -0.00 0.00 0.00 57.88 58.34 1nvo h LEU 29 Cb 0.55 -0.03 -0.11 0.00 -0.00 0.00 0.00 40.66 41.07 1nvo h LEU 29 CO -0.08 0.15 0.21 0.00 -0.00 0.00 0.00 178.44 178.71 1nvo h ALA 30 N 1.13 1.03 -0.10 1.53 0.00 -1.33 0.24 119.26 121.77 1nvo h ALA 30 Ca 0.11 0.17 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 1nvo h ALA 30 Cb 0.03 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1nvo h ALA 30 CO -0.07 -0.35 -0.48 0.87 0.00 0.00 0.00 179.25 179.22 1nvo h LYS 31 N 0.28 0.25 -0.05 0.00 1.57 -0.47 -0.62 116.57 117.53 1nvo h LYS 31 Ca 0.44 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 59.05 1nvo h LYS 31 Cb 0.78 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1nvo h LYS 31 CO -0.53 0.68 -0.11 0.82 -0.57 0.00 0.00 179.45 179.74 1nvo h ILE 32 N 0.20 1.42 -0.71 1.86 2.04 0.49 -1.67 117.51 121.14 1nvo h ILE 32 Ca 0.01 -1.43 -0.04 0.00 1.00 0.00 0.00 64.86 64.40 1nvo h ILE 32 Cb 0.92 2.24 -0.03 0.00 -0.74 0.00 0.00 36.82 39.21 1nvo h ILE 32 CO 0.07 0.39 0.30 0.17 0.00 0.00 0.00 178.15 179.09 1nvo h LEU 33 N -0.33 0.95 0.39 1.44 8.10 -0.45 0.93 115.31 126.34 1nvo h LEU 33 Ca 0.00 -0.13 -0.02 0.00 0.11 0.00 0.00 57.88 57.85 1nvo h LEU 33 Cb 0.70 -0.25 -0.00 0.00 -0.44 0.00 0.00 40.66 40.67 1nvo h LEU 33 CO 0.03 0.84 -0.22 -0.08 -4.11 0.00 0.00 178.44 174.89 1nvo h GLU 34 N 1.02 -0.56 -0.26 0.17 4.81 -1.09 0.56 114.58 119.24 1nvo h GLU 34 Ca 0.24 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.54 1nvo h GLU 34 Cb 0.17 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1nvo h GLU 34 CO -0.02 -0.37 0.09 0.22 -0.73 0.00 0.00 179.01 178.20 1nvo h ASP 35 N -0.58 0.11 -0.34 1.04 1.82 -0.52 -0.77 116.42 117.18 1nvo h ASP 35 Ca -0.05 0.03 0.07 0.00 -0.39 0.00 0.00 57.03 56.69 1nvo h ASP 35 Cb 0.46 0.01 -0.07 0.00 0.68 0.00 0.00 39.33 40.42 1nvo h ASP 35 CO 0.06 0.09 -0.13 -0.33 -1.61 0.00 0.00 179.24 177.33 1nvo h GLU 36 N 0.21 -0.06 -0.54 0.28 4.39 -0.80 -1.45 114.58 116.62 1nvo h GLU 36 Ca 0.12 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.93 1nvo h GLU 36 Cb 0.08 0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 28.64 1nvo h GLU 36 CO -0.12 -0.04 -0.18 1.49 -1.16 0.00 0.00 179.01 179.00 1nvo h GLU 37 N -0.06 -0.05 -0.11 2.33 4.22 0.48 0.12 114.58 121.50 1nvo h GLU 37 Ca 0.17 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.63 1nvo h GLU 37 Cb 0.32 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1nvo h GLU 37 CO -0.38 -0.03 0.01 -0.22 -2.18 0.00 0.00 179.01 176.20 1nvo h LYS 38 N -0.05 0.05 -0.60 1.92 1.63 -0.61 0.40 116.57 119.31 1nvo h LYS 38 Ca 0.25 -0.00 0.08 0.00 -0.85 0.00 0.00 60.65 60.13 1nvo h LYS 38 Cb 0.45 -0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 32.00 1nvo h LYS 38 CO -0.58 0.03 0.25 0.45 -3.45 0.00 0.00 179.45 176.15 1nvo h HIS 39 N 0.05 0.44 -0.35 1.91 3.86 -0.15 -1.70 115.15 119.22 1nvo h HIS 39 Ca 0.05 0.03 -0.17 0.00 -1.16 0.00 0.00 60.37 59.12 1nvo h HIS 39 Cb 0.05 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.41 1nvo h HIS 39 CO -0.12 0.14 -0.45 0.82 0.86 0.00 0.00 177.93 179.18 1nvo h ILE 40 N 0.45 1.27 -0.83 2.45 2.04 -0.51 -2.96 117.51 119.42 1nvo h ILE 40 Ca 0.29 -1.62 0.13 0.00 1.00 0.00 0.00 64.86 64.66 1nvo h ILE 40 Cb 0.33 1.48 -0.06 0.00 -0.74 0.00 0.00 36.82 37.83 1nvo h ILE 40 CO -0.27 0.54 0.54 -0.08 0.00 0.00 0.00 178.15 178.88 1nvo h GLU 41 N 0.72 0.64 -0.77 2.37 4.81 0.41 0.98 114.58 123.74 1nvo h GLU 41 Ca 0.04 -0.04 0.18 0.00 -0.13 0.00 0.00 59.36 59.41 1nvo h GLU 41 Cb 1.05 -0.14 -0.13 0.00 0.63 0.00 0.00 28.75 30.16 1nvo h GLU 41 CO 0.11 0.42 0.05 2.35 -0.73 0.00 0.00 179.01 181.21 1nvo h TRP 42 N 0.66 0.03 0.00 0.92 7.01 -1.15 0.26 115.95 123.68 1nvo h TRP 42 Ca 0.41 0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.46 1nvo h TRP 42 Cb 0.65 0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.81 1nvo h TRP 42 CO -0.00 -0.23 0.00 1.28 -2.79 0.00 0.00 178.44 176.70 1nvo n LEU 43 N -5.31 0.48 -0.10 0.65 4.32 0.33 -1.58 117.00 115.79 1nvo n LEU 43 Ca 0.15 0.63 -0.11 0.00 -0.02 0.00 0.00 56.01 56.66 1nvo n LEU 43 Cb 0.50 -0.58 -0.14 0.00 -1.62 0.00 0.00 43.42 41.58 1nvo n LEU 43 CO 0.05 -0.52 -1.15 -1.84 -1.22 0.00 0.00 177.39 172.71 1nvo n GLU 44 N -2.04 0.84 -0.04 3.23 0.28 0.28 -4.59 120.64 118.60 1nvo n GLU 44 Ca 0.02 0.02 -0.14 0.00 -0.16 0.00 0.00 57.16 56.90 1nvo n GLU 44 Cb 0.19 -1.49 -0.09 0.00 1.43 0.00 0.00 31.44 31.49 1nvo n GLU 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1nvo h THR 45 N 0.00 1.40 -0.31 3.84 1.03 -0.39 -3.28 112.91 115.20 1nvo h THR 45 Ca -0.52 -1.42 0.03 0.00 -0.01 0.00 0.00 66.41 64.50 1nvo h THR 45 Cb 2.11 2.13 -0.04 0.00 -1.07 0.00 0.00 68.15 71.28 1nvo h THR 45 CO 0.01 0.40 -0.17 0.00 -0.01 0.00 0.00 175.52 175.75 1nvo n ILE 46 N -4.60 -0.20 -3.64 0.00 3.06 -0.61 -4.62 119.36 108.74 1nvo n ILE 46 Ca -0.07 0.75 -0.04 0.00 -2.50 0.00 0.00 62.75 60.88 1nvo n ILE 46 Cb 0.37 -0.94 -0.07 0.00 0.54 0.00 0.00 39.64 39.54 1nvo n ILE 46 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 1nvo s LEU 47 N -8.82 -0.40 0.00 9.51 0.20 -1.24 -5.14 118.68 112.79 1nvo s LEU 47 Ca -0.04 0.69 0.00 0.00 0.69 0.00 0.00 54.13 55.47 1nvo s LEU 47 Cb 0.04 1.66 0.00 0.00 -0.43 0.00 0.00 46.19 47.46 1nvo s LEU 47 CO 0.20 -0.11 0.00 0.61 -0.29 0.00 0.00 176.35 176.76